2-[1,9-bis(oxidanyl)nonan-3-ylamino]-4-methyl-benzoic acid

Systemtic Name: 2-[1,9-bis(oxidanyl)nonan-3-ylamino]-4-methyl-benzoic acid Openeye Name: 2-[[7-hydroxy-1-(2-hydroxyethyl)heptyl]amino]-4-methyl-benzoic acid CAS Name: 2-(1,9-dihydroxynonan-3-ylamino)-4-methylbenzoic acid IUPAC Name: 2-(1,9-dihydroxynonan-3-ylamino)-4-methylbenzoic acid Traditional Name: 2-[[7-hydroxy-1-(2-hydroxyethyl)heptyl]amino]-4-methyl-benzoic acid Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)NC(CCCCCCO)CCO

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)NC(CCCCCCO)CCO

InChI

InChI=1S/C17H27NO4/c1-13-7-8-15(17(21)22)16(12-13)18-14(9-11-20)6-4-2-3-5-10-19/h7-8,12,14,18-20H,2-6,9-11H2,1H3,(H,21,22)